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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S)-3-(trifluoromethyl)-1-piperidyl]ethyl]cyclohexanamine N-[2-[(3S)-3-(trifluoromethyl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.73 6.48 -40.38 2 2 1 20 279.37 5 ↓
Lo Low (pH 4.5-6) 3.73 8.71 -123.46 3 2 2 21 280.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3R)-3-(trifluoromethyl)-1-piperidyl]ethyl]cyclohexanamine N-[2-[(3R)-3-(trifluoromethyl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.73 6.47 -40.42 2 2 1 20 279.37 5 ↓
Lo Low (pH 4.5-6) 3.73 8.7 -123.48 3 2 2 21 280.378 5 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-methyl-1-piperidyl]ethyl]cyclohexanamine N-[2-[(2R)-2-methyl-1-piperidyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 8.29 -111.68 3 2 2 21 226.408 4 ↓
Hi High (pH 8-9.5) 3.27 7.1 -29.58 2 2 1 16 225.4 4 ↓
Mid Mid (pH 6-8) 3.27 6.18 -36.73 2 2 1 20 225.4 4 ↓

Analogs

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Popular Name: N-[2-[(2S)-2-methyl-1-piperidyl]ethyl]cyclohexanamine N-[2-[(2S)-2-methyl-1-piperidyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 8.29 -111.57 3 2 2 21 226.408 4 ↓
Hi High (pH 8-9.5) 3.27 7.1 -29.52 2 2 1 16 225.4 4 ↓
Mid Mid (pH 6-8) 3.27 6.18 -36.63 2 2 1 20 225.4 4 ↓

Analogs

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Popular Name: N-[2-[(3R)-3-methyl-1-piperidyl]ethyl]cyclohexanamine N-[2-[(3R)-3-methyl-1-piperidyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.18 8.39 -114.53 3 2 2 21 226.408 4 ↓
Hi High (pH 8-9.5) 3.18 7.23 -31.61 2 2 1 16 225.4 4 ↓
Mid Mid (pH 6-8) 3.18 6.17 -36.68 2 2 1 20 225.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S)-3-methyl-1-piperidyl]ethyl]cyclohexanamine N-[2-[(3S)-3-methyl-1-piperidyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.18 8.39 -114.54 3 2 2 21 226.408 4 ↓
Hi High (pH 8-9.5) 3.18 7.21 -31.54 2 2 1 16 225.4 4 ↓
Mid Mid (pH 6-8) 3.18 6.17 -36.68 2 2 1 20 225.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethyl]cyclohexanamine N-[2-[(3S,5R)-3,5-dimethyl-1-pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 8.99 -116.07 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.66 7.82 -31.94 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.66 6.76 -36.81 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]ethyl]cyclohexanamine N-[2-[(3S,5S)-3,5-dimethyl-1-pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 8.98 -115.21 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.66 7.81 -31.22 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.66 7.12 -36.92 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethyl]cyclohexanamine N-[2-[(3R,5R)-3,5-dimethyl-1-pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 8.99 -115.23 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.66 7.83 -31.42 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.66 7.13 -36.99 2 2 1 20 239.427 4 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-ethyl-1-piperidyl]ethyl]cyclohexanamine N-[2-[(2R)-2-ethyl-1-piperidyl]e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.81 8.88 -113.58 3 2 2 21 240.435 5 ↓
Hi High (pH 8-9.5) 3.81 7.7 -29.98 2 2 1 16 239.427 5 ↓
Mid Mid (pH 6-8) 3.81 7.35 -37.23 2 2 1 20 239.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S)-2-ethyl-1-piperidyl]ethyl]cyclohexanamine N-[2-[(2S)-2-ethyl-1-piperidyl]e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.81 8.9 -113.57 3 2 2 21 240.435 5 ↓
Hi High (pH 8-9.5) 3.81 7.73 -29.89 2 2 1 16 239.427 5 ↓
Mid Mid (pH 6-8) 3.81 6.76 -37.04 2 2 1 20 239.427 5 ↓

Analogs

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Popular Name: N-[2-(4-methoxy-1-piperidyl)ethyl]cyclohexanamine N-[2-(4-methoxy-1-piperidyl)ethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.68 4.6 -39.54 2 3 1 29 241.399 5 ↓
Mid Mid (pH 6-8) 1.68 6.81 -118.51 3 3 2 30 242.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(cyclohexylamino)ethyl]-N,N-dimethyl-piperidin-4-amine 1-[2-(cyclohexylamino)ethyl]-N,N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.45 6.58 -83.99 3 3 2 24 255.45 5 ↓
Lo Low (pH 4.5-6) 2.45 8.83 -195.25 4 3 3 25 256.458 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3R)-3-ethyl-1-piperidyl]ethyl]cyclohexanamine N-[2-[(3R)-3-ethyl-1-piperidyl]e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.68 9.05 -115.69 3 2 2 21 240.435 5 ↓
Hi High (pH 8-9.5) 3.68 7.87 -32.15 2 2 1 16 239.427 5 ↓
Mid Mid (pH 6-8) 3.68 6.82 -36.65 2 2 1 20 239.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S)-3-ethyl-1-piperidyl]ethyl]cyclohexanamine N-[2-[(3S)-3-ethyl-1-piperidyl]e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.68 9.04 -115.64 3 2 2 21 240.435 5 ↓
Hi High (pH 8-9.5) 3.68 7.87 -32.1 2 2 1 16 239.427 5 ↓
Mid Mid (pH 6-8) 3.68 6.81 -36.69 2 2 1 20 239.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R,3R)-2,3-dimethyl-1-piperidyl]ethyl]cyclohexanamine N-[2-[(2R,3R)-2,3-dimethyl-1-pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.51 8.75 -112.47 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.51 7.59 -29.37 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.51 7.03 -36.98 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R,3S)-2,3-dimethyl-1-piperidyl]ethyl]cyclohexanamine N-[2-[(2R,3S)-2,3-dimethyl-1-pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.51 8.73 -113.07 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.51 7.56 -29.92 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.51 6.64 -36.73 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R,4R)-2,4-dimethyl-1-piperidyl]ethyl]cyclohexanamine N-[2-[(2R,4R)-2,4-dimethyl-1-pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.51 8.9 -113.49 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.51 7.73 -30.38 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.51 6.79 -36.79 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R,4S)-2,4-dimethyl-1-piperidyl]ethyl]cyclohexanamine N-[2-[(2R,4S)-2,4-dimethyl-1-pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.51 8.58 -114.15 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.51 7.4 -30.84 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.51 6.46 -36.8 2 2 1 20 239.427 4 ↓

Analogs

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Popular Name: N-[2-(4-tert-butyl-1-piperidyl)ethyl]cyclohexanamine N-[2-(4-tert-butyl-1-piperidyl)e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.51 9.83 -117.8 3 2 2 21 268.489 5 ↓
Hi High (pH 8-9.5) 4.51 8.65 -33.54 2 2 1 16 267.481 5 ↓
Mid Mid (pH 6-8) 4.51 7.57 -36.65 2 2 1 20 267.481 5 ↓

Analogs

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Popular Name: N-[2-(4-propyl-1-piperidyl)ethyl]cyclohexanamine N-[2-(4-propyl-1-piperidyl)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.43 9.83 -115.99 3 2 2 21 254.462 6 ↓
Hi High (pH 8-9.5) 4.43 8.65 -32.79 2 2 1 16 253.454 6 ↓
Mid Mid (pH 6-8) 4.43 7.6 -36.55 2 2 1 20 253.454 6 ↓

Analogs

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Popular Name: N-[2-(4-ethoxy-1-piperidyl)ethyl]cyclohexanamine N-[2-(4-ethoxy-1-piperidyl)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.05 5.55 -39.4 2 3 1 29 255.426 6 ↓
Mid Mid (pH 6-8) 2.05 7.77 -118.75 3 3 2 30 256.434 6 ↓

Analogs

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Popular Name: N-[2-[4-(dimethylaminomethyl)-1-piperidyl]ethyl]cyclohexanamine N-[2-[4-(dimethylaminomethyl)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.84 9.77 -187 4 3 3 25 270.485 6 ↓
Mid Mid (pH 6-8) 2.84 7.54 -81.94 3 3 2 24 269.477 6 ↓

Analogs

40770977
40770977

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Popular Name: N-[2-(4-ethyl-1-piperidyl)ethyl]cyclohexanamine N-[2-(4-ethyl-1-piperidyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.87 9.08 -115.57 3 2 2 21 240.435 5 ↓
Hi High (pH 8-9.5) 3.87 7.89 -32.45 2 2 1 16 239.427 5 ↓
Mid Mid (pH 6-8) 3.87 6.85 -36.55 2 2 1 20 239.427 5 ↓

Analogs

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Popular Name: N-[2-[(3R)-3-propoxy-1-piperidyl]ethyl]cyclohexanamine N-[2-[(3R)-3-propoxy-1-piperidyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.29 6.32 -38.77 2 3 1 29 269.453 7 ↓
Mid Mid (pH 6-8) 3.29 8.56 -117.78 3 3 2 30 270.461 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S)-3-propoxy-1-piperidyl]ethyl]cyclohexanamine N-[2-[(3S)-3-propoxy-1-piperidyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.29 6.32 -38.77 2 3 1 29 269.453 7 ↓
Mid Mid (pH 6-8) 3.29 8.56 -117.76 3 3 2 30 270.461 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3R)-3-ethoxy-1-piperidyl]ethyl]cyclohexanamine N-[2-[(3R)-3-ethoxy-1-piperidyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 5.53 -38.88 2 3 1 29 255.426 6 ↓
Mid Mid (pH 6-8) 2.78 7.76 -117.45 3 3 2 30 256.434 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S)-3-ethoxy-1-piperidyl]ethyl]cyclohexanamine N-[2-[(3S)-3-ethoxy-1-piperidyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 5.53 -38.84 2 3 1 29 255.426 6 ↓
Mid Mid (pH 6-8) 2.78 7.75 -117.48 3 3 2 30 256.434 6 ↓

Analogs

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Popular Name: 4-methyl-N-[2-[(3S)-3-(trifluoromethyl)-1-piperidyl]ethyl]cyclohexanamine 4-methyl-N-[2-[(3S)-3-(trifluoro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.50 6.86 -41.29 2 2 1 20 293.397 5 ↓
Lo Low (pH 4.5-6) 3.50 9.09 -125.34 3 2 2 21 294.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[(3R)-3-(trifluoromethyl)-1-piperidyl]ethyl]cyclohexanamine 4-methyl-N-[2-[(3R)-3-(trifluoro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.50 7.09 -41.06 2 2 1 20 293.397 5 ↓
Lo Low (pH 4.5-6) 3.50 9.32 -124.63 3 2 2 21 294.405 5 ↓

Analogs

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Popular Name: (1S,2R)-2-methyl-N-[2-[(3S)-3-(trifluoromethyl)-1-piperidyl]ethyl]cyclohexanamine (1S,2R)-2-methyl-N-[2-[(3S)-3-(t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.97 6.96 -40.12 2 2 1 20 293.397 5 ↓
Lo Low (pH 4.5-6) 3.97 9.19 -124.53 3 2 2 21 294.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-N-[2-[(3S)-3-(trifluoromethyl)-1-piperidyl]ethyl]cyclohexanamine (1S,2S)-2-methyl-N-[2-[(3S)-3-(t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.97 7.14 -39.59 2 2 1 20 293.397 5 ↓
Lo Low (pH 4.5-6) 3.97 9.38 -123.87 3 2 2 21 294.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-[2-[(3S)-3-(trifluoromethyl)-1-piperidyl]ethyl]cyclohexanamine (1R,2R)-2-methyl-N-[2-[(3S)-3-(t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.97 7.14 -39.63 2 2 1 20 293.397 5 ↓
Lo Low (pH 4.5-6) 3.97 9.39 -123.93 3 2 2 21 294.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-[2-[(3S)-3-(trifluoromethyl)-1-piperidyl]ethyl]cyclohexanamine (1R,2S)-2-methyl-N-[2-[(3S)-3-(t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.97 6.95 -40.18 2 2 1 20 293.397 5 ↓
Lo Low (pH 4.5-6) 3.97 9.18 -124.6 3 2 2 21 294.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-methyl-N-[2-[(3S)-3-(trifluoromethyl)-1-piperidyl]ethyl]cyclohexanamine (1S,3R)-3-methyl-N-[2-[(3S)-3-(t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.74 7.08 -41.02 2 2 1 20 293.397 5 ↓
Lo Low (pH 4.5-6) 3.74 9.31 -124.82 3 2 2 21 294.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methyl-N-[2-[(3S)-3-(trifluoromethyl)-1-piperidyl]ethyl]cyclohexanamine (1S,3S)-3-methyl-N-[2-[(3S)-3-(t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.74 6.85 -40.83 2 2 1 20 293.397 5 ↓
Lo Low (pH 4.5-6) 3.74 9.08 -124.83 3 2 2 21 294.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-methyl-N-[2-[(3S)-3-(trifluoromethyl)-1-piperidyl]ethyl]cyclohexanamine (1R,3R)-3-methyl-N-[2-[(3S)-3-(t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.74 6.84 -40.9 2 2 1 20 293.397 5 ↓
Lo Low (pH 4.5-6) 3.74 9.07 -124.86 3 2 2 21 294.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methyl-N-[2-[(3S)-3-(trifluoromethyl)-1-piperidyl]ethyl]cyclohexanamine (1R,3S)-3-methyl-N-[2-[(3S)-3-(t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.74 7.07 -41.08 2 2 1 20 293.397 5 ↓
Lo Low (pH 4.5-6) 3.74 9.3 -124.88 3 2 2 21 294.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[(2S)-2-methyl-1-piperidyl]ethyl]cyclohexanamine 4-methyl-N-[2-[(2S)-2-methyl-1-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.04 8.68 -113.35 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.04 7.5 -29.54 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.04 6.57 -37.43 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[(2R)-2-methyl-1-piperidyl]ethyl]cyclohexanamine 4-methyl-N-[2-[(2R)-2-methyl-1-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.04 8.68 -113.36 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.04 7.5 -29.63 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.04 6.57 -37.48 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methyl-N-[2-[(2S)-2-methyl-1-piperidyl]ethyl]cyclohexanamine (1S,2R)-2-methyl-N-[2-[(2S)-2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.51 8.77 -112.6 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.51 7.74 -29.67 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.51 6.65 -36.31 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-N-[2-[(2S)-2-methyl-1-piperidyl]ethyl]cyclohexanamine (1S,2S)-2-methyl-N-[2-[(2S)-2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.51 8.95 -111.87 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.51 7.78 -29.76 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.51 6.85 -35.77 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-[2-[(2S)-2-methyl-1-piperidyl]ethyl]cyclohexanamine (1R,2R)-2-methyl-N-[2-[(2S)-2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.51 8.95 -111.9 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.51 7.98 -29.97 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.51 6.85 -35.79 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-[2-[(2S)-2-methyl-1-piperidyl]ethyl]cyclohexanamine (1R,2S)-2-methyl-N-[2-[(2S)-2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.51 8.77 -112.47 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.51 7.7 -29.96 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.51 6.66 -36.27 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-methyl-N-[2-[(2S)-2-methyl-1-piperidyl]ethyl]cyclohexanamine (1S,3R)-3-methyl-N-[2-[(2S)-2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 8.89 -113.02 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.28 7.71 -29.66 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.28 6.78 -37.29 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methyl-N-[2-[(2S)-2-methyl-1-piperidyl]ethyl]cyclohexanamine (1S,3S)-3-methyl-N-[2-[(2S)-2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 8.65 -112.97 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.28 7.48 -29.77 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.28 6.54 -37.09 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-methyl-N-[2-[(2S)-2-methyl-1-piperidyl]ethyl]cyclohexanamine (1R,3R)-3-methyl-N-[2-[(2S)-2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 8.66 -112.82 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.28 7.5 -29.9 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.28 6.55 -37.06 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methyl-N-[2-[(2S)-2-methyl-1-piperidyl]ethyl]cyclohexanamine (1R,3S)-3-methyl-N-[2-[(2S)-2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 8.89 -112.94 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 3.28 7.73 -29.8 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 3.28 6.78 -37.22 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[(3S)-3-methyl-1-piperidyl]ethyl]cyclohexanamine 4-methyl-N-[2-[(3S)-3-methyl-1-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.95 8.78 -116.28 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 2.95 7.6 -31.61 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 2.95 6.57 -37.49 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[(3R)-3-methyl-1-piperidyl]ethyl]cyclohexanamine 4-methyl-N-[2-[(3R)-3-methyl-1-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.95 8.79 -116.3 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 2.95 7.6 -31.59 2 2 1 16 239.427 4 ↓
Mid Mid (pH 6-8) 2.95 6.57 -37.42 2 2 1 20 239.427 4 ↓

Parameters Provided:

ring.id = 13379
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 13379 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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